N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide

C16H25N5O4S — CID 55648530

IUPACN,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H25N5O4S/c1-19(2)16(23)21-11-9-20(10-12-21)8-7-15(22)18-13-3-5-14(6-4-13)26(17,24)25/h3-6H,7-12H2,1-2H3,(H,18,22)(H2,17,24,25)
InChIKeyOVPNMKRLSKKGQH-UHFFFAOYSA-N
MW383.47 g/mol
LogP-0.04
Rot. Bonds5

About N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide

N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide (PubChem CID 55648530) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide
PubChem CID55648530
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC NameN,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H25N5O4S/c1-19(2)16(23)21-11-9-20(10-12-21)8-7-15(22)18-13-3-5-14(6-4-13)26(17,24)25/h3-6H,7-12H2,1-2H3,(H,18,22)(H2,17,24,25)
InChIKeyOVPNMKRLSKKGQH-UHFFFAOYSA-N
XLogP-0.04
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 30871597
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 24589356
3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 33215032
N,N-dimethyl-4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxamide
CID 55682674
2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 3238983
3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 55628364
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 24589298
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
CID 24588712
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide (CID 55648530) is N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide?
The InChIKey is OVPNMKRLSKKGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-19(2)16(23)21-11-9-20(10-12-21)8-7-15(22)18-13-3-5-14(6-4-13)26(17,24)25/h3-6H,7-12H2,1-2H3,(H,18,22)(H2,17,24,25).
What are the key properties of N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 55648530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).